I5K
Summary
| Name: | 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one |
| Formula: | C16 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 254.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H18N2O/c1-10-15-13(7-2-3-8-14(15)19)16(18-10)11-5-4-6-12(17)9-11/h4-6,9,18H,2-3,7-8,17H2,1H3 |
| InChIKey | InChI | 1.06 | FRCOUOQCUILHQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3cccc(N)c3 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(c2CCCCC(=O)c12)c3cccc(N)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3cccc(c3)N)CCCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)c3cccc(c3)N)CCCCC2=O |
